Geometry & MOs

Info

ID:	149430
PubChem CID:	53789103
Reduced:	ClO6C8H13 (1)
Stoich.:	AB6C8D13 (1)
Weight, g/mol:	392.037975
ΔH_f, kcal/mol:	-287.23
Dipole, Da:	4.44
IP(EA), eV:	-10.67(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(4-chlorophenyl)methyl]-1-N,1-N,4-N-trimethylimidazole-1,4-disulfonamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Cl)CO)O)O

DOS

IR

Vibrations